A machine learning technique toward generating minimum energy structures of small boron clusters.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 17, p. 1, doi. 10.1002/qua.25672
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- Publication type:
- Article
Works matching IS 00207608 AND DT 2018 AND VI 118 AND IP 17
Results: 14
1
2
Cover Image, Volume 118, Issue 17.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 17, p. 1, doi. 10.1002/qua.25804
- Publication type:
- Article
3
Fidelity as a marker of topological phase transitions in 2D Dirac materials.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 17, p. 1, doi. 10.1002/qua.25674
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- Publication type:
- Article
4
The effect of stochastic barrier fluctuation on semiclassical transmission probability and Shannon entropy of a symmetric double well potential.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 17, p. 1, doi. 10.1002/qua.25667
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- Publication type:
- Article
5
Benchmarking DFT methods on linear and nonlinear electric properties of spatially confined molecules.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 17, p. 1, doi. 10.1002/qua.25666
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- Publication type:
- Article
6
Insights into the luminescent properties of anionic cyclometalated iridium(III) complexes with ligands derived from natural products.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 17, p. 1, doi. 10.1002/qua.25664
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- Publication type:
- Article
7
Spectroscopical UV–Vis implications of an intramolecular η<sup>2</sup>–Mg coordination in bacteriochlorophyll–a from the Fenna–Matthews–Olson complex.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 17, p. 1, doi. 10.1002/qua.25663
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- Publication type:
- Article
8
Exploring rare chemical phenomena using fractional nuclear charges: The cis‐effect in N<sub>2</sub>F<sub>2</sub>.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 17, p. 1, doi. 10.1002/qua.25662
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- Publication type:
- Article
9
Tetrel bonds between PhSiF<sub>3</sub>/PhTH<sub>3</sub> (T = Si, Ge, Sn) and H<sub>3</sub>ZO (Z = N, P, As): A pentacoordinate silicon (IV) complex.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 17, p. 1, doi. 10.1002/qua.25660
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- Publication type:
- Article
10
Comparative analysis of symmetric division deg index as potentially useful molecular descriptor.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 17, p. 1, doi. 10.1002/qua.25659
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- Publication type:
- Article
11
Bonding/antibonding character of “lone pair” molecular orbitals from their energy derivatives; consequences for experimental data.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 17, p. 1, doi. 10.1002/qua.25658
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- Publication type:
- Article
12
Local aromaticity and aromatic sextet theory beyond Clar.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 17, p. 1, doi. 10.1002/qua.25657
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- Publication type:
- Article
13
Integrated QMMM and Monte Carlo methods for analysis of adsorptive interactions between goethite cluster, carbon nanotubes, and arsenate.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 17, p. 1, doi. 10.1002/qua.25653
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- Publication type:
- Article
14
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 17, p. 1, doi. 10.1002/qua.25479
- Publication type:
- Article